SCHEMBL7540441

SCHEMBL7540441

CCCCCCCCCCCCCCCCCCP(=O)(OCC(CC)CCCC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CA2 P00918 1/20 0.46
AOX1 Q06278 1/20 0.45
CETP P11597 4/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38
ALOX12 P18054 1/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7547431 1.00 CYP3A4 (0.51) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL11310259 0.82 CYP3A4 (0.49) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL7547579 0.82 CYP3A4 (0.58) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL8862368 0.82 CYP3A4 (0.58) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL28240596 0.81 CYP3A4 (0.57) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL28693406 0.80 AOX1 (0.62) ALDH1A1AOX1CETPMAPTGAA
SCHEMBL5495795 0.80 CYP3A4 (0.55) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL27701611 0.80 CYP3A4 (0.49) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL15020329 0.79 PRSS1 (0.41) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL27460325 0.79 PRSS1 (0.41) CYP3A4L3MBTL1PRSS1PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790503-B1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENTS SYNGENTA LTD (GB) 2017-07-19 EP disclosed
EP-2790502-B1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT SYNGENTA LTD (GB) 2017-07-19 EP disclosed
US-20170055533-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2017-03-02 US disclosed
CN-103997891-B As the aromatic phosphoric ester of agrochemicals preparation component SYNGENTA LTD. (GB) 2016-02-10 CN disclosed
US-20140378307-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-20140342912-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2014-11-20 US disclosed
EP-2790503-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT Syngenta Limited (GB) 2014-10-22 EP disclosed
EP-2790502-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT Syngenta Limited (GB) 2014-10-22 EP disclosed
CN-103997891-A Aromatic phosphate esters as agrochemical formulation component SYNGENTA LTD 2014-08-20 CN disclosed
WO-2013087395-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2013-06-20 WO disclosed
WO-2013087396-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2013-06-20 WO disclosed
CN-1127295-C Fungicidal compositions AGREVO UK LTD (GB) 2003-11-12 CN disclosed
EP-0907320-B1 FUNGICIDAL COMPOSITIONS AVENTIS CROPSCIENCE UK LTD (GB) 2002-05-22 EP disclosed
US-6114340-A Fungicidal compositions AGREVO UK LIMITED (GB) 2000-09-05 US disclosed
CN-1223547-A Fungicidal compositions AGREVO UK LTD (GB) 1999-07-21 CN disclosed
EP-0907320-A2 FUNGICIDAL COMPOSITIONS AgrEvo UK Limited (GB) 1999-04-14 EP disclosed
WO-1998000021-A1 FUNGICIDAL COMPOSITIONS AGREVO UK LIMITED (GB) 1998-01-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170055533-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT ALK, PHOSPHO1, PTEN CYP3A4 317/4885L3MBTL1 3912/4885PRSS1 3542/4885
US-20140378307-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT NAPEPLD, ALK, PTEN CYP3A4 177/4885L3MBTL1 4282/4885PRSS1 4173/4885
US-20140342912-A1 AROMATIC PHOSPHATE ESTERS AS AGROCHEMICAL FORMULATION COMPONENT ALK, PHOSPHO1, PTEN CYP3A4 317/4885L3MBTL1 3912/4885PRSS1 3542/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.